(3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

C11H12F3N3OS — CID 106782169

IUPAC(3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCCCn1cncc1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3N3OS/c1-2-3-17-6-15-4-7(17)9(18)8-5-16-10(19-8)11(12,13)14/h4-6,9,18H,2-3H2,1H3
InChIKeyHBJKBSKHCMGDAS-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.85
Rot. Bonds4

About (3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol

(3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 106782169) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is (3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name(3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
PubChem CID106782169
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name(3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
SMILESCCCn1cncc1C(O)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H12F3N3OS/c1-2-3-17-6-15-4-7(17)9(18)8-5-16-10(19-8)11(12,13)14/h4-6,9,18H,2-3H2,1H3
InChIKeyHBJKBSKHCMGDAS-UHFFFAOYSA-N
XLogP2.85
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of (3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol (CID 106782169) is (3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for (3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for (3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is CCCn1cncc1C(O)c1cnc(C(F)(F)F)s1.
What is the InChIKey of (3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is HBJKBSKHCMGDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-2-3-17-6-15-4-7(17)9(18)8-5-16-10(19-8)11(12,13)14/h4-6,9,18H,2-3H2,1H3.
What are the key properties of (3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol?
(3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 291.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylimidazol-4-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 106782169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).